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CHEBI:760442 - al-01211

Default Structure
ChEBI IDCHEBI:760442
ChEBI Nameal-01211
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC28H29Cl2N3O4
Net Charge0
Average Mass542.463
Monoisotopic Mass541.15351
SMILESO=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)/C(=N/O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C28H29Cl2N3O4/c29-21-7-5-17-13-19(4-3-18(17)14-21)26(32-36)28(35)31-24(16-33-11-1-2-12-33)27(34)20-6-10-25(23(30)15-20)37-22-8-9-22/h3-7,10,13-15,22,24,27,34,36H,1-2,8-9,11-12,16H2,(H,31,35)/b32-26+/t24-,27-/m1/s1
InChIKeyKKPICUXVKQINHS-CBVQJHSZSA-N
ChEBI Ontology
Outgoing Relation(s)
al-01211 (CHEBI:760442) is a naphthalenes (CHEBI:25477)
al-01211 (CHEBI:760442) is a organochlorine compound (CHEBI:36683)
Synonyms  Source
Al-01211ChEMBL
Al01211ChEMBL